Glycoside
GD155036
Name:
11-Cyclohexyl-N-((2S,3S,4R,5S,6R)-2-((2S,3S,4R,5R,6R,7S)-7-((3S,3As,5Ar,5Br,7As,11As,11Br,13Ar,13Bs)-5A,5B,8,8,11A,13B-Hexamethylicosahydro-1H-Cyclopenta[A]Chrysen-3-Yl)-2,3,4,5,6-Pentahydroxyoctyloxy)-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-3-Yl)UndecanamideFormula:
C55H99O10NSmiles:
CC(C(O)C(O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1NCCCCCCCCC1CCCCC1)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21CAglycone:
CCC1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C.NCCCCCCCCC1CCCCC1Sugarmoiety:
OCC1OC(OCC(O)C(O)C(O)C(O)C(O)O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 7.64 | Num_rotatable_bonds: | 20 |
| MolWt: | 934.39 | Num_heavy_atoms: | 66 |
| TPSA: | 192.33 | NumAromaticRings: | 0 |
Unique Aglycone
AD54266
Formula: C29H50
Smiles:
CCC1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C| HBA: | 0 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 8.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 398.72 | Num_heavy_atoms: | 29 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD61531
Formula: C14H29N
Smiles:
NCCCCCCCCC1CCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 211.39 | Num_heavy_atoms: | 15 |
| TPSA: | 26.02 | NumAromaticRings: | 0 |
